Compile Data Set for Download or QSAR

Found 10524 hits with Last Name = 'orr' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Type-1 angiotensin II receptor B (RAT)	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122692 (CHEMBL282336 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H27F3N4O5S/c1-19-20(2)36-43-29(19)37-44(40,41)27-7-5-4-6-26(27)25-13-10-22(30-35-14-15-42-30)17-23(25)18-38(3)28(39)16-21-8-11-24(12-9-21)31(32,33)34/h4-15,17,37H,16,18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122693 (CHEMBL29346 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C31H30N4O5S/c1-21-22(2)33-40-30(21)34-41(37,38)28-12-8-7-11-27(28)26-15-14-24(31-32-17-18-39-31)19-25(26)20-35(3)29(36)16-13-23-9-5-4-6-10-23/h4-12,14-15,17-19,34H,13,16,20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122706 (2'-(3-Methyl-2-oxo-imidazolidin-1-ylmethyl)-4'-oxa...) Show SMILES CN1CCN(Cc2cc(ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)-c2ncco2)C1=O Show InChI InChI=1S/C25H25N5O5S/c1-16-17(2)27-35-23(16)28-36(32,33)22-7-5-4-6-21(22)20-9-8-18(24-26-10-13-34-24)14-19(20)15-30-12-11-29(3)25(30)31/h4-10,13-14,28H,11-12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122686 (1-Methyl-1H-indole-2-carboxylic acid [2'-(3,4-dime...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1cc2ccccc2n1C Show InChI InChI=1S/C32H29N5O5S/c1-20-21(2)34-42-30(20)35-43(39,40)29-12-8-6-10-26(29)25-14-13-23(31-33-15-16-41-31)17-24(25)19-36(3)32(38)28-18-22-9-5-7-11-27(22)37(28)4/h5-18,35H,19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122694 (2'-(3,3-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-o...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CN2CCC(C)(C)C2=O)-c2ncco2)c1C Show InChI InChI=1S/C27H28N4O5S/c1-17-18(2)29-36-24(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(25-28-12-14-35-25)15-20(21)16-31-13-11-27(3,4)26(31)32/h5-10,12,14-15,30H,11,13,16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122715 (3,5-Dichloro-N-[2'-(3,4-dimethyl-isoxazol-5-ylsulf...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H24Cl2N4O5S/c1-17-18(2)33-40-27(17)34-41(37,38)26-7-5-4-6-25(26)24-9-8-19(28-32-10-11-39-28)12-21(24)16-35(3)29(36)20-13-22(30)15-23(31)14-20/h4-15,34H,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122676 (CHEMBL274489 | N-[2'-(4,5-Dimethyl-isoxazol-3-ylsu...) Show SMILES CN(C(=O)CC(C)(C)C)c1cc(ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C)-c1ncco1 Show InChI InChI=1S/C27H30N4O5S/c1-17-18(2)36-29-25(17)30-37(33,34)23-10-8-7-9-21(23)20-12-11-19(26-28-13-14-35-26)15-22(20)31(6)24(32)16-27(3,4)5/h7-15H,16H2,1-6H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122712 (CHEMBL440780 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C30H28N4O5S/c1-20-21(2)32-39-29(20)33-40(36,37)27-12-8-7-11-26(27)25-14-13-23(30-31-15-16-38-30)18-24(25)19-34(3)28(35)17-22-9-5-4-6-10-22/h4-16,18,33H,17,19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122697 (2'-[(Methyl-phenyl-amino)-methyl]-4'-oxazol-2-yl-b...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)c1ccccc1 Show InChI InChI=1S/C28H26N4O4S/c1-19-20(2)30-36-27(19)31-37(33,34)26-12-8-7-11-25(26)24-14-13-21(28-29-15-16-35-28)17-22(24)18-32(3)23-9-5-4-6-10-23/h4-17,31H,18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122707 (CHEMBL281659 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC(C)(C)C Show InChI InChI=1S/C28H32N4O5S/c1-18-19(2)30-37-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15,31H,16-17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122700 (4'-Oxazol-2-yl-2'-(3-trifluoromethyl-pyrazol-1-ylm...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cn2ccc(n2)C(F)(F)F)-c2ncco2)c1C Show InChI InChI=1S/C25H20F3N5O4S/c1-15-16(2)31-37-23(15)32-38(34,35)21-6-4-3-5-20(21)19-8-7-17(24-29-10-12-36-24)13-18(19)14-33-11-9-22(30-33)25(26,27)28/h3-13,32H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122681 (CHEMBL27855 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H30N4O5S/c1-17-18(2)29-36-24(17)30-37(33,34)23-10-8-7-9-22(23)21-12-11-19(25-28-13-14-35-25)15-20(21)16-31(6)26(32)27(3,4)5/h7-15,30H,16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419921 (CHEMBL1956864) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C38H55Cl2N5O5S/c1-28-26-29(2)41-36-30(28)12-11-13-33(36)50-27-31-32(39)14-15-34(35(31)40)51(47,48)42-38(16-24-49-25-17-38)37(46)43-18-22-45(6,23-19-43)21-10-8-7-9-20-44(3,4)5/h11-15,26,42H,7-10,16-25,27H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122698 (CHEMBL28863 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...) Show SMILES CC(C)C(=O)N(C)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1 Show InChI InChI=1S/C26H28N4O5S/c1-16(2)26(31)30(5)15-20-14-19(25-27-12-13-34-25)10-11-21(20)22-8-6-7-9-23(22)36(32,33)29-24-17(3)18(4)28-35-24/h6-14,16,29H,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122713 (CHEMBL282359 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H26N4O5S/c1-19-20(2)31-38-27(19)32-39(35,36)26-12-8-7-11-25(26)24-14-13-22(28-30-15-16-37-28)17-23(24)18-33(3)29(34)21-9-5-4-6-10-21/h4-17,32H,18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122684 (2'-(4,4-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-o...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CN2CC(C)(C)CC2=O)-c2ncco2)c1C Show InChI InChI=1S/C27H28N4O5S/c1-17-18(2)29-36-25(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(26-28-11-12-35-26)13-20(21)15-31-16-27(3,4)14-24(31)32/h5-13,30H,14-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122696 (CHEMBL281549 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC(F)(F)F Show InChI InChI=1S/C25H23F3N4O5S/c1-15-16(2)30-37-23(15)31-38(34,35)21-7-5-4-6-20(21)19-9-8-17(24-29-10-11-36-24)12-18(19)14-32(3)22(33)13-25(26,27)28/h4-12,31H,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122690 (CHEMBL28963 | N-Cyclopropyl-N-[2'-(3,4-dimethyl-is...) Show SMILES CC(C)C(=O)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C1CC1 Show InChI InChI=1S/C28H30N4O5S/c1-17(2)28(33)32(22-10-11-22)16-21-15-20(27-29-13-14-36-27)9-12-23(21)24-7-5-6-8-25(24)38(34,35)31-26-18(3)19(4)30-37-26/h5-9,12-15,17,22,31H,10-11,16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419924 (CHEMBL1956856) Show SMILES CN(C)CCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl |r| Show InChI InChI=1S/C35H46Cl2N6O6S/c1-23-21-24(2)39-32-25(23)7-5-9-29(32)49-22-26-27(36)10-11-30(31(26)37)50(46,47)40-35(12-19-48-20-13-35)34(45)43-17-15-42(16-18-43)33(44)28(38)8-6-14-41(3)4/h5,7,9-11,21,28,40H,6,8,12-20,22,38H2,1-4H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50411275 (CHEMBL218427 | MEN-16132) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419907 (CHEMBL1956855) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCN)c2n1 |r| Show InChI InChI=1S/C33H42Cl2N6O6S/c1-21-19-22(2)38-30-23(21)5-3-7-27(30)47-20-24-25(34)8-9-28(29(24)35)48(44,45)39-33(10-17-46-18-11-33)32(43)41-15-13-40(14-16-41)31(42)26(37)6-4-12-36/h3,5,7-9,19,26,39H,4,6,10-18,20,36-37H2,1-2H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419899 (CHEMBL1956876) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H52Cl2N5O5S/c1-26-23-27(2)41-35-29(26)9-8-10-32(35)49-25-30-31(38)11-12-33(34(30)39)50(46,47)42-37(15-21-48-22-16-37)36(45)43-18-13-28(14-19-43)24-40-17-6-7-20-44(3,4)5/h8-12,23,28,40,42H,6-7,13-22,24-25H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50415924 (CHEMBL1083850) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419920 (CHEMBL1956863) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H53Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)42-17-21-44(6,22-18-42)20-9-7-8-19-43(3,4)5/h10-14,25,41H,7-9,15-24,26H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419918 (CHEMBL1956719) Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c2n1 |r| Show InChI InChI=1S/C35H46Cl2N8O6S/c1-22-20-23(2)42-31-24(22)6-5-8-28(31)51-21-25-26(36)9-10-29(30(25)37)52(48,49)43-35(11-18-50-19-12-35)33(47)45-16-14-44(15-17-45)32(46)27(38)7-3-4-13-41-34(39)40/h5-6,8-10,20,27,43H,3-4,7,11-19,21,38H2,1-2H3,(H4,39,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419922 (CHEMBL1956870) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CCCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H52Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)43-20-18-42(19-21-43)17-8-6-7-9-22-44(3,4)5/h10-14,25,41H,6-9,15-24,26H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419909 (CHEMBL1956858) Show SMILES CN(C)CCCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl |r| Show InChI InChI=1S/C36H48Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-7-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)44-18-16-43(17-19-44)34(45)29(39)9-5-6-15-42(3)4/h7-8,10-12,22,29,41H,5-6,9,13-21,23,39H2,1-4H3/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004193 (CHEMBL3236476) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1 Show InChI InChI=1S/C25H30F2N4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)26)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(27)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0648	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50122703 (2'-[(5-Methyl-isoxazol-3-ylamino)-methyl]-4'-oxazo...) Show SMILES Cc1cc(NCc2cc(ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)-c2ncco2)no1 Show InChI InChI=1S/C25H23N5O5S/c1-15-12-23(29-34-15)27-14-19-13-18(25-26-10-11-33-25)8-9-20(19)21-6-4-5-7-22(21)36(31,32)30-24-16(2)17(3)28-35-24/h4-13,30H,14H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167011 (4-(4-Methyl-piperazin-1-yl)-2,3-dihydro-1H-cyclope...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCc12 Show InChI InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist				J Med Chem 41: 2029-39 (1998) Article DOI: 10.1021/jm970745o BindingDB Entry DOI: 10.7270/Q2CJ8H7X
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004180 (CHEMBL3236474) Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1F Show InChI InChI=1S/C22H22F3N3OS.C4H6O6/c1-14-16(13-28(26-14)20-17(23)3-2-4-18(20)24)12-27-8-6-22(7-9-27)21-15(5-10-29-22)11-19(25)30-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50415954 (CHEMBL1083858) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC1)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-19-39(20-18-38)30-12-21-42-22-13-30/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50415966 (CHEMBL1083974) Show SMILES N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O2/c22-20(16-18-4-2-1-3-5-18)6-7-21(25)24-12-10-23(11-13-24)17-19-8-14-26-15-9-19/h1-5,19-20H,6-17,22H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419901 (CHEMBL1956720) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)C[N+](C)(C)C)c2n1 Show InChI InChI=1S/C33H42Cl2N5O6S/c1-22-19-23(2)36-31-24(22)7-6-8-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)37-33(11-17-45-18-12-33)32(42)39-15-13-38(14-16-39)29(41)20-40(3,4)5/h6-10,19,37H,11-18,20-21H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419902 (CHEMBL1956722) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C36H48Cl2N5O6S/c1-25-23-26(2)39-34-27(25)9-8-10-30(34)49-24-28-29(37)12-13-31(33(28)38)50(46,47)40-36(14-21-48-22-15-36)35(45)42-18-16-41(17-19-42)32(44)11-6-7-20-43(3,4)5/h8-10,12-13,23,40H,6-7,11,14-22,24H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419906 (CHEMBL1956854) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCN)c2n1 Show InChI InChI=1S/C33H41Cl2N5O6S/c1-22-20-23(2)37-31-24(22)6-5-7-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)38-33(11-18-45-19-12-33)32(42)40-16-14-39(15-17-40)29(41)8-3-4-13-36/h5-7,9-10,20,38H,3-4,8,11-19,21,36H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419913 (CHEMBL1956862) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C36H51Cl2N5O5S/c1-26-24-27(2)39-34-28(26)10-9-11-31(34)48-25-29-30(37)12-13-32(33(29)38)49(45,46)40-36(14-22-47-23-15-36)35(44)41-16-20-43(6,21-17-41)19-8-7-18-42(3,4)5/h9-13,24,40H,7-8,14-23,25H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004195 (CHEMBL3236478) Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1 Show InChI InChI=1S/C23H27ClN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0908	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004175 (CHEMBL3236486) Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1 Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0916	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004196 (CHEMBL3236479) Show SMILES OC(C(O)C(O)=O)C(O)=O.COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1 Show InChI InChI=1S/C23H27FN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004181 (CHEMBL3236475) Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1C(N)=O Show InChI InChI=1S/C23H24F2N4O2S.C4H6O6/c1-14-16(13-29(27-14)20-17(22(26)30)3-2-4-18(20)24)12-28-8-6-23(7-9-28)21-15(5-10-31-23)11-19(25)32-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3,(H2,26,30);1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0954	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004174 (CHEMBL3236485) Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1 Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50063263 (6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12 Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist				J Med Chem 41: 2029-39 (1998) Article DOI: 10.1021/jm970745o BindingDB Entry DOI: 10.7270/Q2CJ8H7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163035 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C21H22ClN3O2S2/c1-13-17-10-15(22)4-7-20(17)28-21(13)29(26,27)24-16-5-6-19-18(11-16)14(12-23-19)8-9-25(2)3/h4-7,10-12,23-24H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50063264 (6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridin...) Show SMILES C1CCc2c(C1)c(nc1ccccc21)N1CCNCC1 Show InChI InChI=1S/C17H21N3/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)19-17(15)20-11-9-18-10-12-20/h3-4,6,8,18H,1-2,5,7,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist				J Med Chem 41: 2029-39 (1998) Article DOI: 10.1021/jm970745o BindingDB Entry DOI: 10.7270/Q2CJ8H7X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50415928 (CHEMBL1083879) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)35(43)29-13-22-45-23-14-29/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419912 (CHEMBL1956861) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C35H49Cl2N5O5S/c1-25-23-26(2)38-33-27(25)9-7-10-30(33)47-24-28-29(36)11-12-31(32(28)37)48(44,45)39-35(13-21-46-22-14-35)34(43)40-15-19-42(6,20-16-40)18-8-17-41(3,4)5/h7,9-12,23,39H,8,13-22,24H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair

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